SCHEMBL820124

SCHEMBL820124

Cc1cccc(C)c1N1C=CN(c2c(C)cccc2C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 3/20 0.36
ACHE P22303 2/20 0.36
TSHR P16473 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX12 P18054 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
GAA P10253 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29672565 0.98 CYP1A2 (0.36) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
Iodide SCHEMBL28719254 0.98 KDM4E (0.38) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL820541 0.98 CYP1A2 (0.36) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL22427651 0.88 MAPT (0.36) CYP2A6ALDH1A1MEN1KMT2APOLB
SCHEMBL20006913 0.88 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AACHETSHR
SCHEMBL16545308 0.82 TSHR (0.44) CYP1A2ALDH1A1TSHRCA1CA2
SCHEMBL20434169 0.82 MEN1 (0.30) ALDH1A1MEN1KMT2APOLB
SCHEMBL925633 0.78 HTR2A (0.32)
SCHEMBL8336707 0.75 EPHB4 (0.33) KMT2AKDM4ETDP1L3MBTL1
SCHEMBL1156328 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AACHETSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644661-A Imidazole carbene iron complex and application thereof 北京服装学院 2022-06-21 CN disclosed
US-20190352262-A1 New Pleuromutilin Antibiotic Compounds, Compositions and Methods of Use and Synthesis UNIV YALE (US) 2019-11-21 US disclosed
EP-2339594-B1 COMPOSITION FOR PRODUCING METAL FILM, METHOD FOR PRODUCING METAL FILM, AND METHOD FOR PRODUCING METAL POWDER TOSOH CORP (JP) 2018-01-03 EP disclosed
US-9624581-B2 Composition for production of metal film, method for producing metal film and method for producing metal powder TOSOH CORPORATION (JP) 2017-04-18 US disclosed
EP-2513029-B1 CARBOXYLATION OF TERMINAL ALKYNES AGENCY SCIENCE TECH & RES (SG) 2017-04-05 EP disclosed
EP-1534722-B1 RHODIUM AND IRIDIUM COMPLEXES MERCK PATENT GMBH (DE) 2017-03-22 EP disclosed
US-20140275329-A1 Ruthenium Containing Hydrosilylation Catalysts And Compositions Containing The Catalysts DOW SILICONES CORPORATION 2014-09-18 US disclosed
US-20140275329-A1 Ruthenium Containing Hydrosilylation Catalysts And Compositions Containing The Catalysts DOW SILICONES CORPORATION 2014-09-18 US disclosed
US-8816127-B2 Carboxylation of terminal alkynes AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH (SG) 2014-08-26 US disclosed
EP-2289902-B1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2014-04-30 EP disclosed
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-24 US disclosed
US-7534853-B2 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2009-05-19 US disclosed
US-7094897-B2 Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-08-22 US disclosed
US-20060127696-A1 Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-06-15 US disclosed
US-20060065890-A1 Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-03-30 US disclosed
EP-1379534-B1 RHODIUM AND IRIDIUM COMPLEXES COVION ORGANIC SEMICONDUCTORS (DE) 2004-12-15 EP disclosed
US-6815562-B2 REACTION OF NITROHALOGENS WITH ANILINES, A BASE AND A CATALYST, HYDROGENATION, BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
US-20040143138-A1 Process for the preparation of nitrodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 US disclosed
EP-1437341-A1 Process for the preparation of nitrodiphenylamines Bayer Aktiengesellschaft (DE) 2004-07-14 EP disclosed
US-20040133004-A1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2004-07-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190352262-A1 New Pleuromutilin Antibiotic Compounds, Compositions and Methods of Use and Synthesis PLEC, MLN, MRPL21 CYP1A2 2972/4885CYP2A6 1891/4885ALDH1A1 3977/4885
US-20040143138-A1 Process for the preparation of nitrodiphenylamines HNMT, PNMT, NNMT CYP1A2 28/4885CYP2A6 352/4885ALDH1A1 998/4885
US-20060065890-A1 Rhodium and iridium complexes RPIA, INPP5B, SIRT5 CYP1A2 1432/4885CYP2A6 2619/4885ALDH1A1 1107/4885
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound PEX3, SCO2, LPO CYP1A2 1489/4885CYP2A6 2322/4885ALDH1A1 3618/4885
US-20040133004-A1 Rhodium and iridium complexes RPIA, SIRT5, INPP5B CYP1A2 1543/4885CYP2A6 2729/4885ALDH1A1 1115/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.